Crystallography Open Database

Information card for entry 7047694

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Structure parameters

Common name	[Co2(N3)2(Py2F2BTA)2(N3)2]
Chemical name	[Co2(N3)2(Py2F2BTA)2(N3)2]
Formula	C24 H20 B2 Co2 F4 N22
Calculated formula	C24 H20 B2 Co2 F4 N22
Title of publication	Ferromagnetically coupled dinuclear M<sup>II</sup> complexes based on a boratriazine ligand framework.
Authors of publication	Savard, Jamie M.; Brunet, Gabriel; Srinivasan, Anandi; Murugesu, Muralee; Brusso, Jaclyn L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	42
Pages of publication	14875 - 14879
a	11.8492 ± 0.0016 Å
b	10.2697 ± 0.0014 Å
c	13.9894 ± 0.0019 Å
α	90°
β	107.402 ± 0.002°
γ	90°
Cell volume	1624.4 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7047694.cif
229480	2019-11-17	cif/ Updating files of 7047693, 7047694 Original log message: Adding full bibliography for 7047693--7047694.cif.	7047694.cif
211304	2018-10-04	cif/ Adding structures of 7047693, 7047694 via cif-deposit CGI script.	7047694.cif